(1-methyl-2,3-diphenylpyrrolidin-3-yl) propanoate

C20H23NO2 — CID 21149891

IUPAC(1-methyl-2,3-diphenylpyrrolidin-3-yl) propanoate
SMILESCCC(=O)OC1(c2ccccc2)CCN(C)C1c1ccccc1
InChIInChI=1S/C20H23NO2/c1-3-18(22)23-20(17-12-8-5-9-13-17)14-15-21(2)19(20)16-10-6-4-7-11-16/h4-13,19H,3,14-15H2,1-2H3
InChIKeyFFEVEWPSMCPLDX-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.91
Rot. Bonds4

About (1-methyl-2,3-diphenylpyrrolidin-3-yl) propanoate

(1-methyl-2,3-diphenylpyrrolidin-3-yl) propanoate (PubChem CID 21149891) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is (1-methyl-2,3-diphenylpyrrolidin-3-yl) propanoate.

Molecular Properties

Compound Name(1-methyl-2,3-diphenylpyrrolidin-3-yl) propanoate
PubChem CID21149891
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC Name(1-methyl-2,3-diphenylpyrrolidin-3-yl) propanoate
SMILESCCC(=O)OC1(c2ccccc2)CCN(C)C1c1ccccc1
InChIInChI=1S/C20H23NO2/c1-3-18(22)23-20(17-12-8-5-9-13-17)14-15-21(2)19(20)16-10-6-4-7-11-16/h4-13,19H,3,14-15H2,1-2H3
InChIKeyFFEVEWPSMCPLDX-UHFFFAOYSA-N
XLogP3.91
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-methyl-2,3-diphenylpyrrolidin-3-yl) propanoate?
The IUPAC name of (1-methyl-2,3-diphenylpyrrolidin-3-yl) propanoate (CID 21149891) is (1-methyl-2,3-diphenylpyrrolidin-3-yl) propanoate.
What is the SMILES notation for (1-methyl-2,3-diphenylpyrrolidin-3-yl) propanoate?
The canonical SMILES for (1-methyl-2,3-diphenylpyrrolidin-3-yl) propanoate is CCC(=O)OC1(c2ccccc2)CCN(C)C1c1ccccc1.
What is the InChIKey of (1-methyl-2,3-diphenylpyrrolidin-3-yl) propanoate?
The InChIKey is FFEVEWPSMCPLDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2/c1-3-18(22)23-20(17-12-8-5-9-13-17)14-15-21(2)19(20)16-10-6-4-7-11-16/h4-13,19H,3,14-15H2,1-2H3.
What are the key properties of (1-methyl-2,3-diphenylpyrrolidin-3-yl) propanoate?
(1-methyl-2,3-diphenylpyrrolidin-3-yl) propanoate has a molecular weight of 309.41 g/mol, XLogP of 3.91, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-2,3-diphenylpyrrolidin-3-yl) propanoate is sourced from PubChem (CID 21149891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).